3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide

C23H24N4O3 — CID 9120566

IUPAC3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H24N4O3/c1-26(15-22(28)24-17-10-12-19(30-2)13-11-17)23(29)21-14-20(16-8-9-16)25-27(21)18-6-4-3-5-7-18/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,24,28)
InChIKeyLLBZCUIYUDLKKT-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.47
Rot. Bonds7

About 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide (PubChem CID 9120566) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
PubChem CID9120566
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H24N4O3/c1-26(15-22(28)24-17-10-12-19(30-2)13-11-17)23(29)21-14-20(16-8-9-16)25-27(21)18-6-4-3-5-7-18/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,24,28)
InChIKeyLLBZCUIYUDLKKT-UHFFFAOYSA-N
XLogP3.47
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10182969
1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]phenyl}phenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10116752
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
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1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
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1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
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6-(1-{2-[(diethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648155
1-(4-methoxyphenyl)-6-(1-{2-[(N-methylacetamido)methyl]phenyl}piperidin-4-yl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
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(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
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Pyrazole scaffold, 1b
CID 25218466

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide (CID 9120566) is 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is LLBZCUIYUDLKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26(15-22(28)24-17-10-12-19(30-2)13-11-17)23(29)21-14-20(16-8-9-16)25-27(21)18-6-4-3-5-7-18/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,24,28).
What are the key properties of 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 9120566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).